CAS RN: 781652-57-1
3-Cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260202 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260620 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250615 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260610 | 25mg | Out of stock | Inquiry | ||
| Batchno.20260202 | 50mg | Out of stock | Inquiry | ||
| Batchno.20260302 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20260117 | 5mg / 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS781652-57-1
- Purity/Analytical Methods: >99.0%
781652-57-1 / 3-cyano-N-(1,3-diphenylpyrazol-5-yl)benzamide
Basic Information
CAS
781652-57-1
Multi CAS
No
Molecular Formula
C23H16N4O
Molecular Weight
364.400000
Exact Mass
364.132411
InChI
InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)
InChIKey
BKUIZWILNWHFHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
23
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
108.11
TPSA
70.71
LogP / Solubility
WLOGP
4.66
MLOGP
4.12
XLogP3
4.4
Consensus LogP
4.39
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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